UCSF

ZINC36470915

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 31 No

Popular Name: (2S,4S,4aR,5aS,6S,11S,11aS,12S,12aR)-7-chloro-4-(dimethylamino)-6,10,11,12-tetrahydroxy-1,3-dioxo-4a (2S,4S,4aR,5aS,6S,11S,11aS,12S,1…

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Annotations

Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.43 -0.51 -63.34 7 9 0 169 452.891 2 ↓
Mid Mid (pH 6-8) -0.43 -2.58 -54.82 6 9 -1 167 451.883 2 ↓
Lo Low (pH 4.5-6) -0.43 -2.69 -70.59 8 9 1 166 453.899 2 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )